N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]propionamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S3/c1-20-15-9-8-13(24-2)12-16(15)25-18(20)19-17(21)10-11-26(22,23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3